REMARK  Name = BDB056623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.430  -0.655  -1.871  0.00  0.00    +0.236 C 
ATOM      2  N   LIG    1        1.243  -0.117  -0.889  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.890  -0.213   0.063  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.419  -0.246  -3.031  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.796  -0.441   0.302  0.00  0.00    +0.245 C 
ATOM      6  N   LIG    1       -1.786  -1.154  -0.892  0.00  0.00    -0.283 N 
ATOM      7  C   LIG    1       -0.514  -1.757  -1.357  0.00  0.00    +0.187 C 
ATOM      8  C   LIG    1       -0.743  -2.772  -2.491  0.00  0.00    +0.191 C 
ATOM      9  O   LIG    1       -1.786  -3.690  -2.148  0.00  0.00    -0.376 OA
ATOM     10  C   LIG    1       -3.042  -3.040  -1.880  0.00  0.00    +0.179 C 
ATOM     11  C   LIG    1       -2.963  -1.518  -1.687  0.00  0.00    +0.137 C 
ATOM     12  O   LIG    1       -0.755  -0.301   0.949  0.00  0.00    -0.273 OA
BRANCH   5  13
ATOM     13  C   LIG    1       -3.143   0.196   0.753  0.00  0.00    +0.205 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -4.569   1.489   2.380  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -3.137   0.977   2.101  0.00  0.00    -0.003 C 
ATOM     16  C   LIG    1       -2.742   0.059   3.272  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1       -2.203   2.201   2.067  0.00  0.00    +0.013 C 
ENDBRANCH  13  15
BRANCH  13  18
ATOM     18  O   LIG    1       -3.634   1.033  -0.295  0.00  0.00    -0.382 OA
ATOM     19  H   LIG    1       -2.967   1.725  -0.461  0.00  0.00    +0.210 HD
ENDBRANCH  13  18
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1        2.069   1.036  -1.150  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.310   0.994  -0.294  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1        4.465   0.270  -0.674  0.00  0.00    -0.029 A 
ATOM     23  C   LIG    1        5.585   0.270   0.177  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        5.559   0.941   1.399  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        4.410   1.625   1.782  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        4.366   2.426   3.306  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        3.294   1.655   0.948  0.00  0.00    +0.025 A 
BRANCH  22  28
ATOM     28  C   LIG    1        4.558  -0.484  -1.981  0.00  0.00    +0.113 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.087   0.360  -3.045  0.00  0.00    -0.326 NA
ATOM     30  H   LIG    1        4.954  -0.110  -3.938  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1        4.535   1.214  -3.096  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  22  28
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8